SCHEMBL11273592

SCHEMBL11273592

CC(=O)Nc1cc2c(c(C(=O)O)c1NC(C)=O)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1A P48039 2/20 0.36
PLK1 P53350 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25082649 0.74 KDM4E (0.56) KDM4EHSD17B10ALDH1A1ALOX15CASP1
SCHEMBL30884780 0.74 KDM4E (0.56) KDM4EHSD17B10ALDH1A1ALOX15CASP1
SCHEMBL11264951 0.74 HSD17B10 (0.39) KDM4EHSD17B10ALDH1A1ALOX15CASP1
SCHEMBL11400930 0.73 HPGD (0.47) KDM4EHSD17B10ALDH1A1ALOX15KMT2A
SCHEMBL16703652 0.70 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1ALOX15CASP1
SCHEMBL30884745 0.69 KDM4E (0.47) KDM4EHSD17B10ALDH1A1ALOX15CASP1
SCHEMBL25082650 0.69 KDM4E (0.47) KDM4EHSD17B10ALDH1A1ALOX15CASP1
SCHEMBL11275581 0.69 POLB (0.42) KDM4EHSD17B10ALDH1A1ALOX15CASP1
SCHEMBL2961606 0.68 MTNR1A (0.57) KDM4EHSD17B10ALDH1A1ALOX15CASP1
SCHEMBL27740326 0.68 KDM4E (0.45) KDM4EHSD17B10ALDH1A1ALOX15KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323503-A PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1982-04-06 US disclosed
US-4306072-A ANXIOLYTIC AND PSYCHOSTIMULANT ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE (FR) 1981-12-15 US disclosed
US-4268512-A ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-05-19 US disclosed
US-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US disclosed
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US disclosed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US disclosed